6-(N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anilino)pyridine-2-carbonitrile

C44H29N3 — CID 59390733

IUPAC6-(N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anilino)pyridine-2-carbonitrile
SMILESN#Cc1cccc(N(c2ccccc2)c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4ccccc34)cc2)n1
InChIInChI=1S/C44H29N3/c45-30-35-17-12-24-42(46-35)47(36-18-5-2-6-19-36)37-27-25-32(26-28-37)43-38-20-7-9-22-40(38)44(41-23-10-8-21-39(41)43)34-16-11-15-33(29-34)31-13-3-1-4-14-31/h1-29H
InChIKeyDERQRPUJCLTFTO-UHFFFAOYSA-N
MW599.74 g/mol
LogP11.73
Rot. Bonds6

About 6-(N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anilino)pyridine-2-carbonitrile

6-(N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anilino)pyridine-2-carbonitrile (PubChem CID 59390733) has the molecular formula C44H29N3 and a molecular weight of 599.74 g/mol. Its IUPAC name is 6-(N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anilino)pyridine-2-carbonitrile
PubChem CID59390733
Molecular FormulaC44H29N3
Molecular Weight599.74 g/mol
Exact Mass599.24
IUPAC Name6-(N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anilino)pyridine-2-carbonitrile
SMILESN#Cc1cccc(N(c2ccccc2)c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4ccccc34)cc2)n1
InChIInChI=1S/C44H29N3/c45-30-35-17-12-24-42(46-35)47(36-18-5-2-6-19-36)37-27-25-32(26-28-37)43-38-20-7-9-22-40(38)44(41-23-10-8-21-39(41)43)34-16-11-15-33(29-34)31-13-3-1-4-14-31/h1-29H
InChIKeyDERQRPUJCLTFTO-UHFFFAOYSA-N
XLogP11.73
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.74
LogP ≤ 511.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-6-methyl-N-phenylpyridin-2-amine
CID 59390738
1-N-phenyl-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine
CID 59221815
6-(N-(10-naphthalen-1-ylanthracen-9-yl)anilino)pyridine-2-carbonitrile
CID 59390749
4-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]benzonitrile
CID 23579757
N,3-diphenyl-N-[3-[10-[3-[10-[3-(N-(3-phenylphenyl)anilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]aniline
CID 59194316
N-[4-[10-[3-[10-(4-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,4-diphenylaniline;1-methyl-4-phenylbenzene;toluene
CID 143567044
1-N-phenyl-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 59221806
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543
4-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylaniline
CID 142004488
9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 155648463
9-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 23579750
3-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]aniline
CID 155304955

Frequently Asked Questions

What is the IUPAC name of 6-(N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anilino)pyridine-2-carbonitrile?
The IUPAC name of 6-(N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anilino)pyridine-2-carbonitrile (CID 59390733) is 6-(N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anilino)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anilino)pyridine-2-carbonitrile?
The canonical SMILES for 6-(N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anilino)pyridine-2-carbonitrile is N#Cc1cccc(N(c2ccccc2)c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4ccccc34)cc2)n1.
What is the InChIKey of 6-(N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anilino)pyridine-2-carbonitrile?
The InChIKey is DERQRPUJCLTFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3/c45-30-35-17-12-24-42(46-35)47(36-18-5-2-6-19-36)37-27-25-32(26-28-37)43-38-20-7-9-22-40(38)44(41-23-10-8-21-39(41)43)34-16-11-15-33(29-34)31-13-3-1-4-14-31/h1-29H.
What are the key properties of 6-(N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anilino)pyridine-2-carbonitrile?
6-(N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anilino)pyridine-2-carbonitrile has a molecular weight of 599.74 g/mol, XLogP of 11.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anilino)pyridine-2-carbonitrile is sourced from PubChem (CID 59390733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).